SCHEMBL2737728

SCHEMBL2737728

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C)c(C)c3Cl)cc2nc1N1CC[C@H](N)C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2738270 0.94 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL2737735 0.91 HCRTR1 (0.38) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2738238 0.91 MAT2A (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2738239 0.91 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL19099804 0.91 MEN1 (0.37) HCRTR1HCRTR2
SCHEMBL2737759 0.90 HCRTR2 (0.39) HCRTR1HCRTR2
SCHEMBL2737703 0.90 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2738276 0.90 HCRTR1 (0.36) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL15073067 0.90 HCRTR1 (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL19447294 0.90 HCRTR1 (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed
US-8809330-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HCRTR1 4492/4885HCRTR2 4720/4885HSP90AA1 4605/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HCRTR1 4492/4885HCRTR2 4720/4885HSP90AA1 4605/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HCRTR1 4492/4885HCRTR2 4720/4885HSP90AA1 4605/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HCRTR1 4492/4885HCRTR2 4720/4885HSP90AA1 4605/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HCRTR1 4492/4885HCRTR2 4720/4885HSP90AA1 4605/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 HCRTR1 4161/4885HCRTR2 4221/4885HSP90AA1 628/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.